SCHEMBL3979646

SCHEMBL3979646

Cn1c(=O)c(C(N)Cc2ccc(Cl)nc2)nc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
MEN1 O00255 2/20 0.47
FGFR1 P11362 1/20 0.40
KDM4E B2RXH2 6/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
GAA P10253 4/20 0.40
ALDH1A1 P00352 4/20 0.40
HPGD P15428 3/20 0.40
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
MAPT P10636 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
PPARG P37231 1/20 0.39
NCOA2 Q15596 1/20 0.39
NCOA1 Q15788 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3979643 0.74 KMT2A (0.48) KMT2AMEN1FGFR1KDM4ESMN1; SMN2
SCHEMBL28707608 0.69 KDM4E (0.57) KMT2AMEN1FGFR1KDM4ESMN1; SMN2
SCHEMBL29778164 0.68 KDM4E (0.55) KMT2AMEN1FGFR1KDM4ESMN1; SMN2
SCHEMBL3976142 0.68 KDM4E (0.55) KMT2AMEN1FGFR1KDM4ESMN1; SMN2
SCHEMBL31300305 0.68 KDM4E (0.51) KMT2AMEN1FGFR1KDM4ESMN1; SMN2
SCHEMBL8334246 0.67 KDM4E (0.54) KMT2AMEN1FGFR1KDM4ESMN1; SMN2
SCHEMBL9214164 0.66 CASP3 (0.39) KDM4EALDH1A1TDP1HTT
SCHEMBL5550211 0.66 SMN1; SMN2 (0.63) KMT2AMEN1FGFR1KDM4ESMN1; SMN2
SCHEMBL29559517 0.66 SMN1; SMN2 (0.63) KMT2AMEN1FGFR1KDM4ESMN1; SMN2
SCHEMBL28921459 0.66 KDM4E (0.49) KMT2AMEN1FGFR1KDM4ESMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538109-B2 Quinoxalin-3-one derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD (CH) 2009-05-26 US disclosed
EP-1620409-B1 QUINOXALIN-3-ONE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-01-09 EP disclosed
US-20070027157-A1 Quinoxalinone-3-one derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-01 US disclosed
EP-1620409-A1 QUINOXALIN-3-ONE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2006-02-01 EP disclosed
WO-2004096780-A1 QUINOXALINONE-3- ONE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2004-11-11 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070027157-A1 Quinoxalinone-3-one derivatives as orexin receptor antagonists HCRTR1, HCRTR2, NPY1R KMT2A 2120/4885MEN1 1193/4885FGFR1 783/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.